1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole

C15H13N7O — CID 138560516

IUPAC1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole
SMILESCn1nnnc1-n1c(COc2ccccn2)nc2ccccc21
InChIInChI=1S/C15H13N7O/c1-21-15(18-19-20-21)22-12-7-3-2-6-11(12)17-13(22)10-23-14-8-4-5-9-16-14/h2-9H,10H2,1H3
InChIKeySOSNPRAPJCVOBN-UHFFFAOYSA-N
MW307.32 g/mol
LogP1.52
Rot. Bonds4

About 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole

1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole (PubChem CID 138560516) has the molecular formula C15H13N7O and a molecular weight of 307.32 g/mol. Its IUPAC name is 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole.

Molecular Properties

Compound Name1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole
PubChem CID138560516
Molecular FormulaC15H13N7O
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole
SMILESCn1nnnc1-n1c(COc2ccccn2)nc2ccccc21
InChIInChI=1S/C15H13N7O/c1-21-15(18-19-20-21)22-12-7-3-2-6-11(12)17-13(22)10-23-14-8-4-5-9-16-14/h2-9H,10H2,1H3
InChIKeySOSNPRAPJCVOBN-UHFFFAOYSA-N
XLogP1.52
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole?
The IUPAC name of 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole (CID 138560516) is 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole.
What is the SMILES notation for 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole?
The canonical SMILES for 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole is Cn1nnnc1-n1c(COc2ccccn2)nc2ccccc21.
What is the InChIKey of 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole?
The InChIKey is SOSNPRAPJCVOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7O/c1-21-15(18-19-20-21)22-12-7-3-2-6-11(12)17-13(22)10-23-14-8-4-5-9-16-14/h2-9H,10H2,1H3.
What are the key properties of 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole?
1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole has a molecular weight of 307.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyltetrazol-5-yl)-2-(pyridin-2-yloxymethyl)benzimidazole is sourced from PubChem (CID 138560516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).